Structure Database (LMSD)

Common Name
Melissic acid
Systematic Name
Triacontanoic acid
Synonyms
  • C30:0
  • Myricic acid
LM ID
LMFA01010030
Formula
Exact Mass
Calculate m/z
452.45933
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VHOCUJPBKOZGJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC

References

Other Databases

Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0030
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 542.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.01
Molar Refractivity 142.59

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

Admin

Created at
-
Updated at
9th Jun 2022